Dear CCP4ers,
I want to check the validity of the refinement of anisotropic B-factors
vs. TLS + isototropic B-factors using the Hamilton R-value ratio test as
described in Ethan Merritt's paper "To B or not to B", Acta Cryst. D,
Vol 68, pp 468. This test uses the generalised R-factors (assuming unit
weights), RG=(Sum(Fo-Fc)^2/Sum(Fo)^2)^1/2. Although Hamilton wrote that
at the end of refinement, one could also use the similar ratio of the
usual R-factors, I really would like to check the ratio of the RG-values
after refinement. As far as I can see, this value is not reported by the
usual refinement programs.
Is there a program that reads an mtz file with Fo and refined Fc and
just calculates RG?
Best regards,
Dirk.
--
*******************************************************
Dirk Kostrewa
Gene Center Munich, A5.07
Department of Biochemistry
Ludwig-Maximilians-Universität München
Feodor-Lynen-Str. 25
D-81377 Munich
Germany
Phone: +49-89-2180-76845
Fax: +49-89-2180-76998
E-mail: [email protected]
WWW: www.genzentrum.lmu.de
*******************************************************
